Added 33 molecules from epoch 20651 for P31652

P31652_molecules.csv

@@ -59884,3 +59884,36 @@ rxn:2:88821:94833,Cc1nc2c([nH]1)CCCC2NCCC#Cc1ccsc1C,RNGIDWDUISBOCL-UHFFFAOYSA-N
 rxn:2:89630:76167,Cc1csc2ccc(NC(C)c3cn4ncnc4cn3)cc12,LIXUOAVSUAVYGP-UHFFFAOYSA-N
 rxn:2:94222:88023,CC(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1cc[se]c1,XAPWRRRZDFLEPR-UHFFFAOYSA-N
 rxn:2:97105:96265,CSC1CC(Nc2cc(-c3ccc(=O)[nH]c3)nn2C)C1,ABFQBULBLBFNJK-UHFFFAOYSA-N
+rxn:2:102959:139213,CC(NCC#Cc1cccs1)c1ccc2ncncc2c1,DJEUAVIPLFTIQX-UHFFFAOYSA-N
+rxn:2:105621:130954,O=c1[nH]ncc2ccc(NC3CCC4(CC3)CSC4)cc12,CYDFUAKMPKLBMJ-UHFFFAOYSA-N
+rxn:2:106113:138122,CCn1ncc2cc(NC3CCc4sccc4C3)cnc21,FDDCBQBYVPMVBO-UHFFFAOYSA-N
+rxn:2:111209:126372,CC(Nc1csc2cnccc12)c1cncc2[nH]ncc12,FIDQFBWDARMHAL-UHFFFAOYSA-N
+rxn:2:115231:111884,C[Si](C)(C)C#Cc1cnc(NC2CCCCC2F)nc1,XARIVQUFFVJFIC-UHFFFAOYSA-N
+rxn:2:116273:142194,COc1cc(NC(C)c2ccc3n[se]nc3c2)cnc1OC,DQGBZFRMWYHLDD-UHFFFAOYSA-N
+rxn:2:116918:117186,CC(Nc1cncc2nccnc12)c1ccc2sccc2c1,UZQPKJRZBOLBFD-UHFFFAOYSA-N
+rxn:2:119655:128117,Cc1cc(NC(C)c2csc(-c3cc[nH]c3)n2)c(C)s1,VEOYSBDIAHVMTE-UHFFFAOYSA-N
+rxn:2:121006:108204,Cc1ccc2c(NC3CCc4cscc4C3)c[nH]c2n1,XOMTXGNHLSVMSL-UHFFFAOYSA-N
+rxn:2:122644:67250,CC(NCC#Cc1ccc2sccc2c1)c1ccc2cn[nH]c2n1,GXBMNJTYKKNWRD-UHFFFAOYSA-N
+rxn:2:123496:147718,CSC1CC1CNC(C)c1ccc(-c2cnc3nc[nH]c3c2)cn1,HABUOIQHDBMBIG-UHFFFAOYSA-N
+rxn:2:125738:167043,CSC1CCC1NC(C)c1ccc(-c2cnc3nc[nH]c3c2)s1,MVFNBUDCJJXCIB-UHFFFAOYSA-N
+rxn:2:126371:71586,Cc1c[nH]c2nc(CNC3CC(c4ccsc4)C3)ccc12,BUBSBWJQHQMYIP-UHFFFAOYSA-N
+rxn:2:126579:126372,Cc1cc(C#CCNC(C)c2cncc3[nH]ncc23)cs1,RPRRHMHCGVRFAF-UHFFFAOYSA-N
+rxn:2:129474:137786,Cc1cc(C)c(C(C)Nc2ccnc3[nH]ccc23)s1,OYWQWJAQCOARNP-UHFFFAOYSA-N
+rxn:2:132193:82693,COc1cc2nc(C)sc2cc1NC1CCCc2ncsc21,UDUWOMOWJUZTCZ-UHFFFAOYSA-N
+rxn:2:135979:84775,Cc1cc(C)c2c(n1)SCC2Nc1cnc2n[nH]c(C)c2c1,LOEXOOYGBCPXON-UHFFFAOYSA-N
+rxn:2:139108:83650,Cc1cncc2cc(NC(C)c3ccsc3)cnc12,FNXUBZZACVJFBS-UHFFFAOYSA-N
+rxn:2:142039:97954,c1cc2c(s1)CCC2CNc1n[nH]c2nc3c(cc12)CCC3,UPXZYMYFIHDDMC-UHFFFAOYSA-N
+rxn:2:152048:79558,Cc1c(NC2COC(C3CC3)C2)cc(C)c2c(=O)[nH]ccc12,GQENAZLXLBOAPI-UHFFFAOYSA-N
+rxn:2:160803:93522,O=c1c2cc(NC3CC4CSCC4C3)ccc2nc2n1CCC2,WJUWOWIGEIWIEF-UHFFFAOYSA-N
+rxn:2:67978:90323,CC(Nc1cc2sccc2cn1)c1cncc2[nH]ccc12,BGEYGYHIWGIITG-UHFFFAOYSA-N
+rxn:2:68773:87892,CSc1ncc2c(NC3COc4cnc(C)cc43)n[nH]c2n1,MAUFWOVJKSJSRA-UHFFFAOYSA-N
+rxn:2:69327:132913,CC(Nc1cc2ccsc2cn1)c1c[nH]c2cnccc12,XLSFQBFJGPKEMY-UHFFFAOYSA-N
+rxn:2:69859:83019,COc1ccc2[nH]cc(C(C)N[C@H]3CC[Se]C3)c2n1,RWYJOUDIKVOHKV-AXDSSHIGSA-N
+rxn:2:71647:122503,O=c1[nH]ccn2cc(NC3CCC4CCCC43)cc12,IEGALNSDMDGVNY-UHFFFAOYSA-N
+rxn:2:72760:88988,CC1(C)CCC1Nc1cnc(C#C[Si](C)(C)C)nc1,DYFLOMQGEIESMK-UHFFFAOYSA-N
+rxn:2:76500:83592,CC(Nc1csc2c1CSC2)c1cnc2c(cnn2C)c1,FBBFBZWTMAIRTP-UHFFFAOYSA-N
+rxn:2:78787:167294,CSC1CC1NC(C)c1ccc(-c2cnc3[nH]c(=O)[nH]c3c2)s1,XJSGOQNSHDYYQM-UHFFFAOYSA-N
+rxn:2:86954:102440,Cc1cc2c(NC(C)c3cc4scnc4cn3)ccnc2[nH]1,YZUBDBFKJVROOC-UHFFFAOYSA-N
+rxn:2:90429:118376,Cc1cnc2nc(NC3CCc4ccsc4C3)n(C)c2c1,DPWJUZCWLBZWHB-UHFFFAOYSA-N
+rxn:2:93954:147718,CC(NC1Cc2cscc2C1)c1ccc(-c2cnc3nc[nH]c3c2)cn1,UZCFPZGOHRKNPD-UHFFFAOYSA-N
+rxn:2:95359:102373,Cc1ccc(C2CC(Nc3cnc4ncnn4c3)C2)s1,VZKJZOZZTDJRMD-UHFFFAOYSA-N